N-(3-chlorophenyl)-8-methyl-2-(4-methylphenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-8-methyl-2-(4-methylphenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
N-(3-chlorophenyl)-8-methyl-2-(4-methylphenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0100 |
| Compound Name: | N-(3-chlorophenyl)-8-methyl-2-(4-methylphenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 480.99 |
| Molecular Formula: | C23 H17 Cl N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)C1CSC2=Nc3c(C(N2N=1)=O)c(C)c(C(Nc1cccc(c1)[Cl])=O)s3 |
| Stereo: | ACHIRAL |
| logP: | 5.5195 |
| logD: | 5.4176 |
| logSw: | -6.088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.557 |
| InChI Key: | BYFSJWIRFZBZQP-UHFFFAOYSA-N |